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3s2o

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3s2o, resolution 2.60Å ()
Ligands: ,
Gene: BACE, BACE1, KIAA1149 (Homo sapiens)
Activity: Memapsin 2, with EC number 3.4.23.46
Related: 3msj, 3msk, 3msl, 3msm


Resources: FirstGlance, OCA, PDBsum, RCSB
Coordinates: save as pdb, mmCIF, xml



Contents

Fragment based discovery and optimisation of bace-1 inhibitors

Publication Abstract from PubMed

A novel series of 2-aminobenzimidazole inhibitors of BACE1 has been discovered using fragment-based drug discovery (FBDD) techniques. The rapid optimization of these inhibitors using structure-guided medicinal chemistry is discussed.

Fragment-based discovery and optimization of BACE1 inhibitors., Madden J, Dod JR, Godemann R, Kraemer J, Smith M, Biniszkiewicz M, Hallett DJ, Barker J, Dyekjaer JD, Hesterkamp T, Bioorg Med Chem Lett. 2010 Sep 1;20(17):5329-33. Epub 2010 Jun 27. PMID:20656487

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

About this Structure

3s2o is a 1 chain structure with sequence from Homo sapiens. This structure supersedes the now removed PDB entry 3msm. Full crystallographic information is available from OCA.

See Also

Reference

  • Madden J, Dod JR, Godemann R, Kraemer J, Smith M, Biniszkiewicz M, Hallett DJ, Barker J, Dyekjaer JD, Hesterkamp T. Fragment-based discovery and optimization of BACE1 inhibitors. Bioorg Med Chem Lett. 2010 Sep 1;20(17):5329-33. Epub 2010 Jun 27. PMID:20656487 doi:10.1016/j.bmcl.2010.06.089

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